SCHEMBL5213401

SCHEMBL5213401

CC(C)N1CCC(OC2CCN(c3ccc(C(=O)N(C)C)cc3)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.53
USP2 O75604 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
VCP P55072 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5210189 0.86 HRH3 (0.50) HRH3USP2KDM4EALDH1A1MAPT
SCHEMBL20579629 0.84 OPRD1 (0.43) HRH3USP2KDM4EALDH1A1MAPT
SCHEMBL5211181 0.82 HRH3 (0.53) HRH3
SCHEMBL5210077 0.82 HRH3 (0.58) HRH3
SCHEMBL5212236 0.82 HRH3 (0.76) HRH3
SCHEMBL5208401 0.81 HRH3 (0.58) HRH3
SCHEMBL5209775 0.81 HRH3 (0.53) HRH3USP2
SCHEMBL5214338 0.81 HRH3 (0.57) HRH3ALDH1A1
SCHEMBL5210399 0.80 HRH3 (0.62) HRH3KDM4EALDH1A1MAPT
SCHEMBL10184117 0.76 ACACB (0.46) HRH3USP2ALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1646620-B1 SUBSTITUTED PIPERIDINES AS HISTAMINE H3 RECEPTOR LIGANDS GLAXO GROUP LTD (GB) 2007-08-15 EP claimed